Geometry & MOs

Info

ID:

181371

PubChem CID:

76736717

Reduced:

SO5C35H56 (1)

Stoich.:

AB5C35D56 (1)

Weight, g/mol:

524.441343

ΔHf, kcal/mol:

-256.8

Dipole, Da:

7.04

IP(EA), eV:

 -9.26(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[[1-[1-[1-(5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propan-2-yl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCC(C)CC1C(C(C(O1)CC(C)C(=C)C(C)CC2CCC3C(O2)(CC(O3)C)CC)CS(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations